# generated using pymatgen
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57237900
_cell_length_b   8.67308464
_cell_length_c   8.69536020
_cell_angle_alpha   60.17248146
_cell_angle_beta   89.21012327
_cell_angle_gamma   88.64656935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF5
_chemical_formula_sum   'Li3 Fe6 O3 F15'
_cell_volume   299.06379404
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.50253700  0.33638800  0.32883600  1
  Li  Li1  1  0.00201200  0.00410400  0.99427500  1
  Li  Li2  1  0.49545500  0.66496700  0.66219900  1
  Fe  Fe3  1  0.98552300  0.35681500  0.00790500  1
  Fe  Fe4  1  0.51793500  0.67239200  0.00578200  1
  Fe  Fe5  1  0.98371300  0.65774200  0.35758400  1
  Fe  Fe6  1  0.51370500  0.98789400  0.32197100  1
  Fe  Fe7  1  0.51584700  0.30058500  0.69186600  1
  Fe  Fe8  1  0.98524700  0.00589300  0.65600200  1
  O  O9  1  0.73964100  0.46025200  0.10324500  1
  O  O10  1  0.73411100  0.77751000  0.43597000  1
  O  O11  1  0.76790100  0.10611200  0.76951900  1
  F  F12  1  0.76504200  0.12238000  0.10700700  1
  F  F13  1  0.26381100  0.21934400  0.21490600  1
  F  F14  1  0.74167200  0.10654300  0.43543400  1
  F  F15  1  0.76704200  0.77605400  0.11731700  1
  F  F16  1  0.26017500  0.57062000  0.22380200  1
  F  F17  1  0.26496500  0.21630700  0.55826600  1
  F  F18  1  0.23442200  0.88343300  0.22380200  1
  F  F19  1  0.74143700  0.43825300  0.45663600  1
  F  F20  1  0.25683100  0.53595100  0.56417000  1
  F  F21  1  0.25227300  0.90135700  0.54136800  1
  F  F22  1  0.23573100  0.23143000  0.89322800  1
  F  F23  1  0.73608500  0.43529200  0.78566100  1
  F  F24  1  0.73792100  0.78339000  0.77331900  1
  F  F25  1  0.25585200  0.56384900  0.89153600  1
  F  F26  1  0.24311500  0.88514400  0.87829600  1
